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  • Cholesteryl caprylate

    • Cholesteryl caprylate

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    Catalog Number
    ACM1182429
    CAS Number
    1182-42-9
    Product Name
    Cholesteryl caprylate
    Structure
    Category
    Liquid Crystal (LC) Materials
    Synonyms
    3β-hydroxy-5-cholestene 3-octanoate
    IUPAC Name
    [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octanoate
    Molecular Weight
    512.85
    Molecular Formula
    C35H60O2
    Canonical SMILES
    CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
    InChI
    InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1
    InChI Key
    SKLBBRQPVZDTNM-SJTWHRLHSA-N
    Boiling Point
    539.1 ºC
    Melting Point
    110 ºC (lit.)
    Purity
    98%+
    Density
    0.963 g/ml
    Appearance
    Solid
    Complexity
    782
    Covalently-Bonded Unit Count
    1
    EC Number
    214-656-2
    Exact Mass
    512.459331g/mol
    Formal Charge
    0
    Heavy Atom Count
    37
    MeSH Entry Terms
    cholesterol octanoate;cholesteryl caprylate;cholesteryl octanoate;cholesteryl octanoate, 13C-labeled;cholesteryl octanoate, 14C-labeled
    Monoisotopic Mass
    512.459331g/mol
    Rotatable Bond Count
    13
    UNII
    X9U26HA4Z2
    XLogP3
    12.1
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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